PDB Structure Viewer
Title: HUMAN 20S PROTEASOME COMPLEX WITH BORTEZOMIB AT 2.1 ANGSTROM
Experimental Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
Ligands: 1PE, 6V1, BO2, CL, K, MG, YCM
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b
Viewer size: 800 x 600
Chain style: {'stick': {}}
Residue style: {'stick': {'colorscheme': 'cyanCarbon'}}
Generated: 2025-07-03 23:01:35
Script: binding_visualizer.py
Config file: binding_visualizer.yaml
Python version: 3.9.6
Platform: Darwin 24.5.0
User/Host: andreazedda@Andreas-MacBook-Pro.local
PDB Downloaded: 2025-07-03 21:01:32 UTC
Script SHA256: 9b794f86511be876a9a3c87c13b38ff50f8484e67cfb4035c7c032f7ff378418
Config SHA256: 616711b129618b4886590e47cf58d8619f5b7fa6314f0a9e4e95f2818c54e4b8
Instructions: Drag to rotate, scroll to zoom, double-click to center. Hover over atoms for details.
Dependencies: py3Dmol 2.4.0, requests 2.32.3, pyyaml 6.0.2
Git commit: 7b491d9
Show YAML Config
pdb_id: "5LF3"
viewer:
width: 800
height: 600
visualization:
chain_style:
stick: {}
residue_style:
stick:
colorscheme: "cyanCarbon"
ligand: "BOR" # Main drug/ligand to map
# PDF Report Generation
generate_pdf: true
pdf_options:
include_structure_image: true
image_width: 800
image_height: 600
cleanup_aux_files: true
binding_site_detection:
enabled: true # Switch for biopython residue mapping
cutoff_angstrom: 5.0
mutations:
- chain: K
resnum: 45
mutation: A45T
effect: resistance
- chain: K
resnum: 49
mutation: C49W
effect: unknown
therapies:
- name: Bortezomib
pdb_ligand: BOR
clinical_phase: Approved
mechanism: Proteasome inhibitor targeting the 26S proteasome
mm_relevance: High
resistance_mutations: [A45T, C49W]
- name: Carfilzomib
pdb_ligand: ...
clinical_phase: Approved
mm_relevance: High
resistance_mutations: [...]
pathways:
- name: "Proteasome pathway"
kegg_id: "hsa03050"
reactome_id: "R-HSA-174084"
literature:
- doi: "10.1126/science.aaf8993"
pmid: "27493187"
title: "The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design."
| Chain | ResNum | Mutation | Effect |
|---|
| K | 45 | A45T | resistance |
| K | 49 | C49W | unknown |
| Name | Ligand | Phase | MM Relevance | Resistance Mutations |
|---|
| Bortezomib | BOR | Approved | High | A45T, C49W |
| Carfilzomib | ... | Approved | High | ... |
Visualization generated by
binding_visualizer.py using
py3Dmol.
Contact:
your.email@example.comCopyright © 2025